3-methylsulfanyl-2-phenyl-8-(phenylmethyl)sulfonyl-1,4,8-triazaspiro[4.5]deca-1,3-diene

Systemtic Name: 3-methylsulfanyl-2-phenyl-8-(phenylmethyl)sulfonyl-1,4,8-triazaspiro[4.5]deca-1,3-diene Openeye Name: 8-benzylsulfonyl-3-methylsulfanyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene CAS Name: 3-(methylthio)-2-phenyl-8-(phenylmethyl)sulfonyl-1,4,8-triazaspiro[4.5]deca-1,3-diene IUPAC Name: 8-benzylsulfonyl-3-methylsulfanyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene Traditional Name: 8-benzylsulfonyl-3-(methylthio)-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2(CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)N=C1C4=CC=CC=C4

Isomeric SMILES

CSC1=NC2(CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)N=C1C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O2S2/c1-27-20-19(18-10-6-3-7-11-18)22-21(23-20)12-14-24(15-13-21)28(25,26)16-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3